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SMILES: C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1

InChI Key: InChIKey=UTYMAGFCZOUQSX-HNNXBMFYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50339754   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50339754
PNG
(CHEMBL1689135 | [4-Chloro-2-({(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H24Cl2N2O3/c1-15-13-25(14-18-11-20(24)7-4-17(18)12-22(28)29)8-9-26(15)21(27)10-16-2-5-19(23)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50339754
PNG
(CHEMBL1689135 | [4-Chloro-2-({(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H24Cl2N2O3/c1-15-13-25(14-18-11-20(24)7-4-17(18)12-22(28)29)8-9-26(15)21(27)10-16-2-5-19(23)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair